4-acetamido-3-methyl-2-prop-2-ynoxy-benzoate

Systemtic Name: 4-acetamido-3-methyl-2-prop-2-ynoxy-benzoate Openeye Name: 4-acetamido-3-methyl-2-prop-2-ynoxy-benzoate CAS Name: 4-acetamido-3-methyl-2-prop-2-ynoxybenzoate IUPAC Name: 4-acetamido-3-methyl-2-prop-2-ynoxybenzoate Traditional Name: 4-acetamido-3-methyl-2-propargyloxy-benzoate Formula: C13H12NO4- MolecularWeight: 246.23868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OCC#C)C(=O)[O-])NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1OCC#C)C(=O)[O-])NC(=O)C

InChI

InChI=1S/C13H13NO4/c1-4-7-18-12-8(2)11(14-9(3)15)6-5-10(12)13(16)17/h1,5-6H,7H2,2-3H3,(H,14,15)(H,16,17)/p-1